4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-pyridin-2-ylethyl)pyrazol-5-amine

C16H25N5 — CID 63785609

IUPAC4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-pyridin-2-ylethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CCc2ccccn2)c1CC(C)N
InChIInChI=1S/C16H25N5/c1-12(17)11-15-13(2)19-21(4)16(15)20(3)10-8-14-7-5-6-9-18-14/h5-7,9,12H,8,10-11,17H2,1-4H3
InChIKeyVDEURGVPUGPXDV-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.69
Rot. Bonds6

About 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-pyridin-2-ylethyl)pyrazol-5-amine

4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-pyridin-2-ylethyl)pyrazol-5-amine (PubChem CID 63785609) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-pyridin-2-ylethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-pyridin-2-ylethyl)pyrazol-5-amine
PubChem CID63785609
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-pyridin-2-ylethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CCc2ccccn2)c1CC(C)N
InChIInChI=1S/C16H25N5/c1-12(17)11-15-13(2)19-21(4)16(15)20(3)10-8-14-7-5-6-9-18-14/h5-7,9,12H,8,10-11,17H2,1-4H3
InChIKeyVDEURGVPUGPXDV-UHFFFAOYSA-N
XLogP1.69
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine
CID 63815150
5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
CID 43564929
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63786109
2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 43188910
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
4-(2-aminopropyl)-N-(4-fluorophenyl)-N,1,3-trimethylpyrazol-5-amine
CID 63815275
6-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyridin-3-amine
CID 83122719
1-[4-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62752452
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
N-methyl-5-propan-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 133381833
4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine
CID 63784911
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-pyridin-2-ylethyl)pyrazol-5-amine?
The IUPAC name of 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-pyridin-2-ylethyl)pyrazol-5-amine (CID 63785609) is 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-pyridin-2-ylethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-pyridin-2-ylethyl)pyrazol-5-amine?
The canonical SMILES for 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-pyridin-2-ylethyl)pyrazol-5-amine is Cc1nn(C)c(N(C)CCc2ccccn2)c1CC(C)N.
What is the InChIKey of 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-pyridin-2-ylethyl)pyrazol-5-amine?
The InChIKey is VDEURGVPUGPXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-12(17)11-15-13(2)19-21(4)16(15)20(3)10-8-14-7-5-6-9-18-14/h5-7,9,12H,8,10-11,17H2,1-4H3.
What are the key properties of 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-pyridin-2-ylethyl)pyrazol-5-amine?
4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-pyridin-2-ylethyl)pyrazol-5-amine has a molecular weight of 287.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-pyridin-2-ylethyl)pyrazol-5-amine is sourced from PubChem (CID 63785609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).